3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3OS/c1-18-9-4-10-19(12-11-18)16(20)8-7-15-17-13-5-2-3-6-14(13)21-15/h2-3,5-6H,4,7-12H2,1H3/p+1